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	hartrees
Energy at 0K	-7821.430283
Energy at 298.15K	-7821.439079
HF Energy	-7821.430283
Nuclear repulsion energy	968.009538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1124	1083	150.07
2	A₁	373	360	2.66
3	A₁	216	208	0.04
4	E	727	700	246.86
4	E	727	700	246.87
5	E	293	282	0.03
5	E	293	282	0.03
6	E	147	142	0.00
6	E	147	142	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.437
F2	0.000	0.000	1.806
Br3	0.000	1.883	-0.180
Br4	1.631	-0.942	-0.180
Br5	-1.631	-0.942	-0.180

	C1	F2	Br3	Br4	Br5
C1		1.3686	1.9818	1.9818	1.9818
F2	1.3686		2.7367	2.7367	2.7367
Br3	1.9818	2.7367		3.2620	3.2620
Br4	1.9818	2.7367	3.2620		3.2620
Br5	1.9818	2.7367	3.2620	3.2620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	108.141	F2	C1	Br4	108.141
F2	C1	Br5	108.141	Br3	C1	Br4	110.768
Br3	C1	Br5	110.768	Br4	C1	Br5	110.768

All results from a given calculation for CFBr₃ (fluorotribromomethane)

using model chemistry: HSEh1PBE/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.395
2	F	-0.220
3	Br	0.205
4	Br	0.205
5	Br	0.205

	x	y	z	Total
	0.000	0.000	-0.649	0.649
CHELPG
AIM
ESP

<r²>	446.351
(<r²>)^1/2	21.127

All results from a given calculation for CFBr3 (fluorotribromomethane)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CFBr₃ (fluorotribromomethane)